hexyl 4-[[(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]amino]benzoate

Systemtic Name: hexyl 4-[[(8-oxidanylquinolin-7-yl)-pyridin-3-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-7-quinolinyl)-(3-pyridinyl)methyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-7-quinolyl)-(3-pyridyl)methyl]amino]benzoic acid hexyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C28H29N3O3/c1-2-3-4-5-18-34-28(33)21-10-13-23(14-11-21)31-25(22-9-6-16-29-19-22)24-15-12-20-8-7-17-30-26(20)27(24)32/h6-17,19,25,31-32H,2-5,18H2,1H3